3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

C9H10N6S2 — CID 4650872

IUPAC3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nc(CSc3nnnn3C)cn12
InChIInChI=1S/C9H10N6S2/c1-6-4-16-8-10-7(3-15(6)8)5-17-9-11-12-13-14(9)2/h3-4H,5H2,1-2H3
InChIKeyCTGAUCIBGGMCLM-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.52
Rot. Bonds3

About 3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 4650872) has the molecular formula C9H10N6S2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID4650872
Molecular FormulaC9H10N6S2
Molecular Weight266.36 g/mol
Exact Mass266.04
IUPAC Name3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nc(CSc3nnnn3C)cn12
InChIInChI=1S/C9H10N6S2/c1-6-4-16-8-10-7(3-15(6)8)5-17-9-11-12-13-14(9)2/h3-4H,5H2,1-2H3
InChIKeyCTGAUCIBGGMCLM-UHFFFAOYSA-N
XLogP1.52
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 4650872) is 3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is Cc1csc2nc(CSc3nnnn3C)cn12.
What is the InChIKey of 3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is CTGAUCIBGGMCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6S2/c1-6-4-16-8-10-7(3-15(6)8)5-17-9-11-12-13-14(9)2/h3-4H,5H2,1-2H3.
What are the key properties of 3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 266.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 4650872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).